carbon monoxide; 2-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)ethyl ethanoate; iron

Systemtic Name: carbon monoxide; 2-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)ethyl ethanoate; iron Openeye Name: carbon monoxide; 2-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)ethyl acetate; iron CAS Name: acetic acid 2-(1-cyano-4-methoxy-1-cyclohexa-2,4-dienyl)ethyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; 2-(1-cyano-4-methoxycyclohexa-2,4-dien-1-yl)ethyl acetate; iron Traditional Name: acetic acid 2-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)ethyl ester; carbon monoxide; iron Formula: C15H15FeNO6 MolecularWeight: 361.1277

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1(CC=C(C=C1)OC)C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=O)OCCC1(CC=C(C=C1)OC)C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C12H15NO3.3CO.Fe/c1-10(14)16-8-7-12(9-13)5-3-11(15-2)4-6-12;3*1-2;/h3-5H,6-8H2,1-2H3;;;;